2-[[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-ethyl-carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-ethyl-carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-ethylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylcarbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-ethyl-thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C18H27N6O2S+ MolecularWeight: 391.51098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NCC[NH+](C)C

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NCC[NH+](C)C

InChI

InChI=1S/C18H26N6O2S/c1-4-23(18(27)20-10-11-22(2)3)14-15(19)24(17(26)21-16(14)25)12-13-8-6-5-7-9-13/h5-9H,4,10-12,19H2,1-3H3,(H,20,27)(H,21,25,26)/p+1